Molecule

ID:100233

General Information
Structure
MolImage
Molecular Formula
C₇H₃Cl₂F₃O₃S
Molecular Mass
295.0631296
Exact Mass
293.91320498
Charge
0
InChI
InChI=1S/C7H3Cl2F3O3S/c8-5-3-4(16(9,13)14)1-2-6(5)15-7(10,11)12/h1-3H
InChIKey
LKVVZQXNPJBJDU-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(ccc1OC(F)(F)F)S(=O)(=O)Cl
Isomeric Smiles
O(c1c(cc(cc1)S(=O)(=O)Cl)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.954705
LogD (pH = 7.4)
3.954705
Log P
3.954705
Molar Refractivity
48.1273
Polarizability
20.694057
Polar Surface Area
43.37
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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